1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea

C16H19N3O5S — CID 46518710

IUPAC1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19N3O5S/c1-17-16(20)18-11-4-6-12(7-5-11)19-25(21,22)15-10-13(23-2)8-9-14(15)24-3/h4-10,19H,1-3H3,(H2,17,18,20)
InChIKeyOASBWHMHEMQPMP-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.26
Rot. Bonds6

About 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea

1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 46518710) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
PubChem CID46518710
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C16H19N3O5S/c1-17-16(20)18-11-4-6-12(7-5-11)19-25(21,22)15-10-13(23-2)8-9-14(15)24-3/h4-10,19H,1-3H3,(H2,17,18,20)
InChIKeyOASBWHMHEMQPMP-UHFFFAOYSA-N
XLogP2.26
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25044379
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea (CID 46518710) is 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is OASBWHMHEMQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-17-16(20)18-11-4-6-12(7-5-11)19-25(21,22)15-10-13(23-2)8-9-14(15)24-3/h4-10,19H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea?
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 365.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 46518710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).